Pitenodil
TL;DR: Pitenodil (CAS 59840-71-0) is a chemical compound with molecular formula C17H27N3O3S and molecular weight 353.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate
Also Known As: Pitenodil, Pitenodil [INN], pitenodilum, 2-[4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate, 2-(4-(3-(2-Thenoyl)propyl)-1-piperazinyl)ethyl dimethylcarbamate
| Molecular Formula | C17H27N3O3S |
|---|---|
| Molecular Weight | 353.18 g/mol |
| LogP | 2.0268 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.1773 |
| Heavy Atoms | 24 |
| Complexity | 511.16025 |
Chemical Identifiers
| CAS Number | 59840-71-0 |
|---|---|
| SMILES | CN(C)C(=O)OCCN1CCN(CC1)CCCC(=O)C2=CC=CS2 |
Product Overview
Pitenodil (CAS 59840-71-0), with molecular formula C17H27N3O3S and molecular weight 353.18 g/mol. IUPAC: 2-[4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate.
Chemical Property Profile of Pitenodil
Property Insights of Pitenodil
The XLogP value of 2.0268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pitenodil. With a topological polar surface area (TPSA) of 53.09 Ų, Pitenodil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pitenodil has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pitenodil?
The CAS number of Pitenodil is 59840-71-0.
What is the molecular formula of Pitenodil?
The molecular formula of Pitenodil is C17H27N3O3S.
What is the molecular weight of Pitenodil?
The molecular weight of Pitenodil is 353.18 g/mol.
Where can I buy Pitenodil?
You can request a quote for Pitenodil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pitenodil?
Yes, KEHONG BIO provides custom synthesis services for Pitenodil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.